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7XQA
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Orf1-glycine complex
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE, N-formimidoyl fortimicin A synthase
著者Wang, Y.L, Li, T.L.
登録日2022-05-07
公開日2023-05-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
6NKO
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BU of 6nko by Molmil
Crystal structure of ForH
分子名称: ForH
著者Zheng, J, Irani, S, Zhang, Y.
登録日2019-01-07
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Identification of the Formycin A Biosynthetic Gene Cluster from Streptomyces kaniharaensis Illustrates the Interplay between Biological Pyrazolopyrimidine Formation and de Novo Purine Biosynthesis.
J. Am. Chem. Soc., 141, 2019
3JR4
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BU of 3jr4 by Molmil
MutM interrogating an extrahelical G
分子名称: DNA (5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*G*CP*GP*TP*CP*CP*AP*(GX1)P*GP*TP*CP*TP*AP*CP*C)-3'), DNA glycosylase, ...
著者Qi, Y, Spong, M.C, Verdine, G.L.
登録日2009-09-08
公開日2009-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Entrapment and structure of an extrahelical guanine attempting to enter the active site of a bacterial DNA glycosylase, MutM.
J.Biol.Chem., 285, 2010
6NE5
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BU of 6ne5 by Molmil
Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors that Demonstrate in vivo Activity in Mouse Xenograft Models of Human Cancer
分子名称: 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-methyl-1H-indole-5-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Zhao, B.
登録日2018-12-17
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Potent Myeloid Cell Leukemia-1 (Mcl-1) Inhibitors That Demonstrate in Vivo Activity in Mouse Xenograft Models of Human Cancer.
J.Med.Chem., 62, 2019
6NEL
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BU of 6nel by Molmil
4-(2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl)benzoic acid bound to influenza 2009 pH1N1 endonuclease
分子名称: 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Bauman, J.D, Arnold, E.
登録日2018-12-17
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019
5NEN
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BU of 5nen by Molmil
Crystal structure of the soluble domain of LipC, a membrane fusion protein of a type I secretion system
分子名称: Lipase C
著者Murata, D, Akutsu, M, Takano, K.
登録日2017-03-11
公開日2017-11-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Structural Basis for the Serratia marcescens Lipase Secretion System: Crystal Structures of the Membrane Fusion Protein and Nucleotide-Binding Domain.
Biochemistry, 56, 2017
3J9K
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BU of 3j9k by Molmil
Structure of Dark apoptosome in complex with Dronc CARD domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, Apaf-1 related killer DARK, Caspase Nc
著者Pang, Y, Bai, X, Yan, C, Hao, Q, Chen, Z, Wang, J, Scheres, S.H.W, Shi, Y.
登録日2015-02-04
公開日2015-02-25
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structure of the apoptosome: mechanistic insights into activation of an initiator caspase from Drosophila.
Genes Dev., 29, 2015
5D7A
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BU of 5d7a by Molmil
Crystal structure of the kinase domain of TRAF2 and NCK-interacting protein kinase with NCB-0846
分子名称: SULFATE ION, TRAF2 and NCK-interacting protein kinase, cis-4-{[2-(1H-benzimidazol-5-ylamino)quinazolin-8-yl]oxy}cyclohexanol
著者Ohbayashi, N, Kukimoto-Niino, M, Yamada, T, Shirouzu, M.
登録日2015-08-13
公開日2016-08-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献TNIK inhibition abrogates colorectal cancer stemness
Nat Commun, 7, 2016
3KO3
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BU of 3ko3 by Molmil
D-tyrosyl-tRNA(Tyr) deacylase from Plasmodium falciparum incomplex with ADP, obtained through soaking native enzyme crystal with the ATP
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-tyrosyl-tRNA(Tyr) deacylase
著者Manickam, Y, Bhatt, T.K, Sharma, A.
登録日2009-11-13
公開日2009-12-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3KOD
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BU of 3kod by Molmil
DTD from Plasmodium falciparum in complex with D-Serine
分子名称: D-SERINE, D-tyrosyl-tRNA(Tyr) deacylase
著者Manickam, Y, Bhatt, T.K, Sharma, A.
登録日2009-11-13
公開日2009-12-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
5DBM
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BU of 5dbm by Molmil
Crystal structure of the CBP bromodomain in complex with CPI703
分子名称: (4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein
著者Setser, J.W, Poy, F, Bellon, S.F.
登録日2015-08-21
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016
4ZZV
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BU of 4zzv by Molmil
Geotrichum candidum Cel7A apo structure at 1.4A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CELLOBIOHYDROLASE I, ...
著者Borisova, A.S, Stahlberg, J.
登録日2015-04-14
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
FEBS J., 282, 2015
5A9U
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BU of 5a9u by Molmil
Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).
分子名称: (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR
著者McTigue, M, Deng, Y.-L, Liu, W, Brooun, A, Stewart, A.
登録日2015-07-22
公開日2016-06-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F.
N.Engl.J.Med., 374, 2016
3J2U
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BU of 3j2u by Molmil
Kinesin-13 KLP10A HD in complex with CS-tubulin and a microtubule
分子名称: Kinesin-like protein Klp10A, Tubulin alpha-1A chain, Tubulin beta-2B chain
著者Asenjo, A.B, Chatterjee, C, Tan, D, DePaoli, V, Rice, W.J, Diaz-Avalos, R, Silvestry, M, Sosa, H.
登録日2013-01-10
公開日2013-03-06
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (10.8 Å)
主引用文献Structural model for tubulin recognition and deformation by Kinesin-13 microtubule depolymerases.
Cell Rep, 3, 2013
5D8G
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BU of 5d8g by Molmil
A structural view on the dissociation of E. coli Tryptophanase
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Almog, O.
登録日2015-08-17
公開日2015-12-09
最終更新日2016-07-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A structural view of the dissociation of Escherichia coli tryptophanase.
Acta Crystallogr.,Sect.D, 71, 2015
7XTP
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BU of 7xtp by Molmil
eIF4E in Complex with a Disulphide-Free Autonomous VH Domain
分子名称: Eukaryotic translation initiation factor 4E, VH-S4ss, [[(2R,3S,4R,5R)-5-(6-AMINO-3-METHYL-4-OXO-5H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHOXY-HYDROXY-PHOSPHORYL] PHOSPHONO HYDROGEN PHOSPHATE
著者Brown, C.J, Frosi, Y, Jiang, S, Lin, Y.C.
登録日2022-05-17
公開日2022-07-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.828 Å)
主引用文献Engineering an autonomous VH domain to modulate intracellular pathways and to interrogate the eIF4F complex.
Nat Commun, 13, 2022
5DCZ
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BU of 5dcz by Molmil
Tankyrase 2 complexed with a selective inhibitor
分子名称: PHOSPHATE ION, Tankyrase-2, ZINC ION, ...
著者Shewchuk, L.M, Muelbaier, M.
登録日2015-08-24
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Discovery of a new tool compound with superior selectivity to interrogate the biology of Tankyrase
J.Med.Chem, 2015
3I2T
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BU of 3i2t by Molmil
Crystal structure of the unliganded Drosophila Epidermal Growth Factor Receptor ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ...
著者Alvarado, D, Klein, D.E, Lemmon, M.A.
登録日2009-06-29
公開日2009-09-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献ErbB2 resembles an autoinhibited invertebrate epidermal growth factor receptor.
Nature, 461, 2009
6NEM
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BU of 6nem by Molmil
3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one bound to influenza 2009 pH1N1 endonuclease
分子名称: 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase acidic protein, ...
著者Bauman, J.D, Arnold, E.
登録日2018-12-17
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019
7VHZ
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BU of 7vhz by Molmil
Crystal structure of EP300 HAT domain in complex with compound 7
分子名称: (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION
著者Takahashi, M, Hanzawa, H.
登録日2021-09-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
7VHY
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BU of 7vhy by Molmil
Crystal structure of EP300 HAT domain in complex with compound (+)-3
分子名称: Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
著者Takahashi, M, Hanzawa, H.
登録日2021-09-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
7VI0
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BU of 7vi0 by Molmil
Crystal structure of EP300 HAT domain in complex with compound 11
分子名称: (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION
著者Takahashi, M, Hanzawa, H.
登録日2021-09-24
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
5MJQ
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BU of 5mjq by Molmil
Single-shot pink beam serial crystallography: Phycocyanin (One chip)
分子名称: C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN
著者Meents, A, Oberthuer, D, Lieske, J, Srajer, V, Sarrou, I.
登録日2016-12-01
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pink-beam serial crystallography.
Nat Commun, 8, 2017
7WAY
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BU of 7way by Molmil
PlmCasX-sgRNAv1-dsDNA ternary complex at nts loading state
分子名称: DNA (27-MER), DNA (33-MER), RNA, ...
著者Zhang, S, Liu, J.J.G.
登録日2021-12-15
公開日2022-03-16
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
7WB1
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PlmCasX-sgRNAv2-dsDNA ternary complex at nts loading state
分子名称: NTS-DNA, RNA (121-MER), TS-DNA, ...
著者Zhang, S, Liu, J.J.G.
登録日2021-12-15
公開日2022-03-16
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022

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